2-(difluoromethyl)-1-N,1-N-dipropylbenzene-1,4-diamine

C13H20F2N2 — CID 63749183

IUPAC2-(difluoromethyl)-1-N,1-N-dipropylbenzene-1,4-diamine
SMILESCCCN(CCC)c1ccc(N)cc1C(F)F
InChIInChI=1S/C13H20F2N2/c1-3-7-17(8-4-2)12-6-5-10(16)9-11(12)13(14)15/h5-6,9,13H,3-4,7-8,16H2,1-2H3
InChIKeyNBYWBGAJWTUUSL-UHFFFAOYSA-N
MW242.31 g/mol
LogP3.83
Rot. Bonds6

About 2-(difluoromethyl)-1-N,1-N-dipropylbenzene-1,4-diamine

2-(difluoromethyl)-1-N,1-N-dipropylbenzene-1,4-diamine (PubChem CID 63749183) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-N,1-N-dipropylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-(difluoromethyl)-1-N,1-N-dipropylbenzene-1,4-diamine
PubChem CID63749183
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC Name2-(difluoromethyl)-1-N,1-N-dipropylbenzene-1,4-diamine
SMILESCCCN(CCC)c1ccc(N)cc1C(F)F
InChIInChI=1S/C13H20F2N2/c1-3-7-17(8-4-2)12-6-5-10(16)9-11(12)13(14)15/h5-6,9,13H,3-4,7-8,16H2,1-2H3
InChIKeyNBYWBGAJWTUUSL-UHFFFAOYSA-N
XLogP3.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylpropyl)benzene-1,4-diamine
CID 55229077
2-(difluoromethyl)-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine
CID 63734268
2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylbutyl)benzene-1,4-diamine
CID 79478202
2-[4-amino-2-(difluoromethyl)-N-propan-2-ylanilino]ethanol
CID 63735480
2-(difluoromethyl)-1-N-(2-methoxyethyl)-1-N-pentan-3-ylbenzene-1,4-diamine
CID 63734628
2-(difluoromethyl)-1-N-(2-methylpropyl)-1-N-pentan-3-ylbenzene-1,4-diamine
CID 79483856
2-[2-amino-4-(difluoromethyl)-N-propylanilino]ethanol
CID 112737492
2-[4-amino-2-(difluoromethyl)-N-methylanilino]-N,N-dimethylacetamide
CID 63734078
1-N-cyclopropyl-2-(difluoromethyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 63735637
2-(difluoromethyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)benzene-1,4-diamine
CID 79476283
1-[[4-amino-2-(difluoromethyl)-N-methylanilino]methyl]cyclopentan-1-ol
CID 114947310
1-N-[(2-bromophenyl)methyl]-2-(difluoromethyl)-1-N-methylbenzene-1,4-diamine
CID 63735129

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-N,1-N-dipropylbenzene-1,4-diamine?
The IUPAC name of 2-(difluoromethyl)-1-N,1-N-dipropylbenzene-1,4-diamine (CID 63749183) is 2-(difluoromethyl)-1-N,1-N-dipropylbenzene-1,4-diamine.
What is the SMILES notation for 2-(difluoromethyl)-1-N,1-N-dipropylbenzene-1,4-diamine?
The canonical SMILES for 2-(difluoromethyl)-1-N,1-N-dipropylbenzene-1,4-diamine is CCCN(CCC)c1ccc(N)cc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-1-N,1-N-dipropylbenzene-1,4-diamine?
The InChIKey is NBYWBGAJWTUUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2/c1-3-7-17(8-4-2)12-6-5-10(16)9-11(12)13(14)15/h5-6,9,13H,3-4,7-8,16H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-1-N,1-N-dipropylbenzene-1,4-diamine?
2-(difluoromethyl)-1-N,1-N-dipropylbenzene-1,4-diamine has a molecular weight of 242.31 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-N,1-N-dipropylbenzene-1,4-diamine is sourced from PubChem (CID 63749183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).